Mol:FLIC1LNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 29 0 0 0 0 0 0 0 0999 V2000 | + | 27 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0732 -3.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0732 -3.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4406 -3.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4406 -3.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2209 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2209 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6338 -2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6338 -2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2665 -2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2665 -2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4861 -3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4861 -3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4141 -2.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4141 -2.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8270 -1.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.8270 -1.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.4597 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4597 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6793 -2.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6793 -2.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6074 -1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6074 -1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0690 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0690 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3039 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3039 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1376 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1376 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8139 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8139 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0488 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0488 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2928 -4.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2928 -4.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9796 -0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9796 -0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0186 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0186 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9347 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9347 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8042 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8042 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3625 1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3625 1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2044 1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2044 1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5465 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5465 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1246 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1246 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4068 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4068 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 26 27 | + | M SAL 2 2 26 27 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 28 -0.3076 -0.4422 | + | M SVB 2 28 -0.3076 -0.4422 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 26 1.834 -0.7179 | + | M SVB 1 26 1.834 -0.7179 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIC1LNI0003 | + | ID FLIC1LNI0003 |
| − | KNApSAcK_ID C00009734 | + | KNApSAcK_ID C00009734 |
| − | NAME Unanisoflavan | + | NAME Unanisoflavan |
| − | CAS_RN 61186-60-5 | + | CAS_RN 61186-60-5 |
| − | FORMULA C22H26O5 | + | FORMULA C22H26O5 |
| − | EXACTMASS 370.178023942 | + | EXACTMASS 370.178023942 |
| − | AVERAGEMASS 370.43884 | + | AVERAGEMASS 370.43884 |
| − | SMILES COc(c(O)3)c(cc(C(C=C)(C)C)c3OC)C(C1)Cc(c2)c(cc(c2)O)O1 | + | SMILES COc(c(O)3)c(cc(C(C=C)(C)C)c3OC)C(C1)Cc(c2)c(cc(c2)O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 29 0 0 0 0 0 0 0 0999 V2000
-1.0732 -3.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4406 -3.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2209 -3.2247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6338 -2.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2665 -2.8442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4861 -3.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4141 -2.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8270 -1.6369 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4597 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6793 -2.3521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6074 -1.0335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0690 -0.9143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3039 -0.2689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1376 0.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8139 0.1380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0488 -0.5074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2928 -4.5433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9796 -0.1497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2550 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0186 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9347 0.5437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8042 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3625 1.0536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2044 1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5465 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1246 -1.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4068 -0.8547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 11 2 0 0 0 0
1 2 1 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 1 0 0 0 0
19 21 1 0 0 0 0
19 22 1 0 0 0 0
21 23 2 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 26 27
M SBL 2 1 28
M SMT 2 OCH3
M SVB 2 28 -0.3076 -0.4422
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 26
M SMT 1 OCH3
M SVB 1 26 1.834 -0.7179
S SKP 8
ID FLIC1LNI0003
KNApSAcK_ID C00009734
NAME Unanisoflavan
CAS_RN 61186-60-5
FORMULA C22H26O5
EXACTMASS 370.178023942
AVERAGEMASS 370.43884
SMILES COc(c(O)3)c(cc(C(C=C)(C)C)c3OC)C(C1)Cc(c2)c(cc(c2)O)O1
M END
